UCSF

ZINC31502614

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.71 9.68 -47.68 1 3 -1 60 295.443 14
Lo Low (pH 4.5-6) 5.71 8.56 -9.47 2 3 0 58 296.451 14

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )